SIRIUS SUPRA BLUE ,6252-57-9 _Chemical Cloud Database

SIRIUS SUPRA BLUE

Basic Information
Product Name：	SIRIUS SUPRA BLUE
CAS：	6252-57-9
English Synonyms：	SIRIUS SUPRA BLUE ; SIRIUS SUPRA BLUE BL
MDL Number.：	MFCD00081184
H bond acceptor：	21
H bond donor：	3
Smile：	c1ccc(cc1)Nc2ccc3c(c2)cc(c(c3O)/N=N/c4ccc(c5c4cc(cc5)S(=O)(=O)[O-])/N=N/c6ccc(c7c6cccc7)/N=N/c8cc(cc9c8c(cc(c9)S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b49-48+,52-50+,53-51+;;;;
InChiKey：	InChIKey=KQZDRGKMSIEFDF-MJFZQJADSA-J
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